Chemical ID: 6633667

CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4
Chemical ID:
6633667
Name [?]:
17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4
InChi [?]:
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,12,16,8,9,4,3,20,14,18,15,5,6,7,10,2,19,11/rA:20cCCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s6;s12;s13;s5s14;s15;s16;s17;d18;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:7
ZAP Information [?]
Total:8.14346
Area:435.526
Solvation:-2.74468
Coulombic:-25.1669
Bond Count [?]
All:23
Single:22
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:276.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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